Structural transitions in model beta-sheet tapes

Giovanni Bellesia, Maxim V. Fedorov, Edward G. Timoshenko

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12 Citations (Scopus)

Abstract

We present a molecular-scale simulation study of the structural transitions between helicoidal, helical, and tubular geometries in supramolecular beta-sheet tapes. Such geometries have been observed in different self-assembled amyloid systems (based on either natural or synthetic peptides) for which the beta-sheet tapes represent the simplest fibrillar aggregates. A coarse-grained model for the beta-sheet tapes is proposed, with chiral degrees of freedom and asymmetrical chemical properties, which provides a quantitative characterization of the structural transitions. A quantitative connection is established between the molecular properties and the elastic parameters of the supramolecular tapes. (c) 2008 American Institute of Physics.

Original languageEnglish
Article number195105
Pages (from-to)-
Number of pages7
JournalJournal of Chemical Physics
Volume128
Issue number19
DOIs
Publication statusPublished - 12 May 2008

Keywords

  • amphiphilic assemblies
  • molecular dynamics
  • helical ribbons
  • peptide
  • origin
  • proteins
  • forces

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    Bellesia, G., Fedorov, M. V., & Timoshenko, E. G. (2008). Structural transitions in model beta-sheet tapes. Journal of Chemical Physics, 128(19), -. [195105]. https://doi.org/10.1063/1.2909550